(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide

C18H22F2N4O — CID 124622207

IUPAC(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)NCCc2ccc(F)c(F)c2)C[C@@H]1n1ccnc1
InChIInChI=1S/C18H22F2N4O/c1-13-5-8-23(11-17(13)24-9-7-21-12-24)18(25)22-6-4-14-2-3-15(19)16(20)10-14/h2-3,7,9-10,12-13,17H,4-6,8,11H2,1H3,(H,22,25)/t13-,17-/m0/s1
InChIKeyJREYIDBLGOSCKP-GUYCJALGSA-N
MW348.40 g/mol
LogP3.00
Rot. Bonds4

About (3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide

(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide (PubChem CID 124622207) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is (3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
PubChem CID124622207
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)NCCc2ccc(F)c(F)c2)C[C@@H]1n1ccnc1
InChIInChI=1S/C18H22F2N4O/c1-13-5-8-23(11-17(13)24-9-7-21-12-24)18(25)22-6-4-14-2-3-15(19)16(20)10-14/h2-3,7,9-10,12-13,17H,4-6,8,11H2,1H3,(H,22,25)/t13-,17-/m0/s1
InChIKeyJREYIDBLGOSCKP-GUYCJALGSA-N
XLogP3.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 136514717
(3S,4R)-N-[(4,4-difluorocyclohexyl)methyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124875203
N-[(3,4-difluorophenyl)methyl]-2-imidazol-1-ylcyclobutane-1-carboxamide
CID 141168854
(2-fluoro-6-methylsulfanylphenyl)-[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methanone
CID 124873903
(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide
CID 125140956
5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124567981
N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110059617
methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615103
(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
CID 97224827
1-[2-(3-fluoro-4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000671
(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide
CID 124875381
[(3S,4S)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627112

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide?
The IUPAC name of (3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide (CID 124622207) is (3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide is C[C@H]1CCN(C(=O)NCCc2ccc(F)c(F)c2)C[C@@H]1n1ccnc1.
What is the InChIKey of (3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide?
The InChIKey is JREYIDBLGOSCKP-GUYCJALGSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-13-5-8-23(11-17(13)24-9-7-21-12-24)18(25)22-6-4-14-2-3-15(19)16(20)10-14/h2-3,7,9-10,12-13,17H,4-6,8,11H2,1H3,(H,22,25)/t13-,17-/m0/s1.
What are the key properties of (3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide?
(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 124622207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).